butane; carbon monoxide; 2,9-dimethyl-1,10-phenanthroline; molybdenum; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: butane; carbon monoxide; 2,9-dimethyl-1,10-phenanthroline; molybdenum; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: butane; carbon monoxide; 2,9-dimethyl-1,10-phenanthroline; molybdenum; 2,2,2-trifluoroacetic acid CAS Name: butane; carbon monoxide; 2,9-dimethyl-1,10-phenanthroline; molybdenum; 2,2,2-trifluoroacetic acid IUPAC Name: butane; carbon monoxide; 2,9-dimethyl-1,10-phenanthroline; molybdenum; 2,2,2-trifluoroacetic acid Traditional Name: carbon monoxide; 2,9-dimethyl-1,10-phenanthroline; molybdenum; n-butane; 2,2,2-trifluoroacetic acid Formula: C22H23F3MoN2O4 MolecularWeight: 532.36423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC.CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C.[C-]#[O+].[C-]#[O+].C(=O)(C(F)(F)F)O.[Mo]

Isomeric SMILES

CCCC.CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C.[C-]#[O+].[C-]#[O+].C(=O)(C(F)(F)F)O.[Mo]

InChI

InChI=1S/C14H12N2.C4H10.C2HF3O2.2CO.Mo/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;1-3-4-2;3-2(4,5)1(6)7;2*1-2;/h3-8H,1-2H3;3-4H2,1-2H3;(H,6,7);;;